2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide

C20H16N4O2 — CID 58104232

IUPAC2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)cc1
InChIInChI=1S/C20H16N4O2/c21-12-14-3-7-16(8-4-14)26-17-9-5-15(6-10-17)13-24-20(25)18-2-1-11-23-19(18)22/h1-11H,13H2,(H2,22,23)(H,24,25)
InChIKeyWWILLBGSNHEINJ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide

2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58104232) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID58104232
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)cc1
InChIInChI=1S/C20H16N4O2/c21-12-14-3-7-16(8-4-14)26-17-9-5-15(6-10-17)13-24-20(25)18-2-1-11-23-19(18)22/h1-11H,13H2,(H2,22,23)(H,24,25)
InChIKeyWWILLBGSNHEINJ-UHFFFAOYSA-N
XLogP3.26
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
N-[(4-cyanophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78951088
2-amino-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66844013
2-amino-N-[[4-(aminomethyl)phenyl]methyl]pyridine-3-carboxamide
CID 174625318
2-amino-N-[[4-(3-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843847
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-amino-N-[[4-(2-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843653
2-amino-N-[[4-(3-chloro-4-methylsulfanylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104553
N-[(4-cyanophenyl)methyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62269325
2-amino-N-[[4-[(2-methoxyphenyl)methoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104243
3-amino-N-[(4-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069753

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide (CID 58104232) is 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide is N#Cc1ccc(Oc2ccc(CNC(=O)c3cccnc3N)cc2)cc1.
What is the InChIKey of 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WWILLBGSNHEINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-12-14-3-7-16(8-4-14)26-17-9-5-15(6-10-17)13-24-20(25)18-2-1-11-23-19(18)22/h1-11H,13H2,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide?
2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(4-cyanophenoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58104232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).